CID 47528

Nicorandil

Structural Information

Molecular Formula

C₈H₉N₃O₄

SMILES

C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)

InChIKey

LBHIOVVIQHSOQN-UHFFFAOYSA-N

Compound name

2-(pyridine-3-carbonylamino)ethyl nitrate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1730
References: 11889
Patents: 211.05931 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.06659	141.0
[M+Na]+	234.04853	152.0
[M+NH4]+	229.09313	147.3
[M+K]+	250.02247	150.1
[M-H]-	210.05203	142.8
[M+Na-2H]-	232.03398	146.7
[M]+	211.05876	142.6
[M]-	211.05986	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe